CID 3015262

3-methoxy-2,2-dimethylpropanal

Structural Information

Molecular Formula
C6H12O2
SMILES
CC(C)(COC)C=O
InChI
InChI=1S/C6H12O2/c1-6(2,4-7)5-8-3/h4H,5H2,1-3H3
InChIKey
MSUXOWPAVUXNMZ-UHFFFAOYSA-N
Compound name
3-methoxy-2,2-dimethylpropanal
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

174
Patents

116.08373 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.091006 122.8
[M+Na]+ 139.072948 130.9
[M-H]- 115.076454 123.5
[M+NH4]+ 134.117553 145.8
[M+K]+ 155.046888 131.5
[M+H-H2O]+ 99.080990 119.2
[M+HCOO]- 161.081931 145.8
[M+CH3COO]- 175.097581 170.6
[M+Na-2H]- 137.058396 130.8
[M]+ 116.08318142 126.0
[M]- 116.08427858 126.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe